SCHEMBL5051979

SCHEMBL5051979

CC(=O)N1CCC(Nc2ncc3cc(-c4ccccc4C)c(=O)n(C4CCOCC4)c3n2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.50
LCK P06239 1/20 0.50
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CCNE1 P24864 13/20 0.46
CDK2 P24941 13/20 0.46
CCND1 P24385 10/20 0.46
CDK6 Q00534 10/20 0.46
CCNT1 O60563 1/20 0.46
CDK4 P11802 1/20 0.46
CDK9 P50750 1/20 0.46
CCNE2 O96020 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3679034 1.00 MAPK14 (0.50) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL917150 0.95 MAPK14 (0.53) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3679319 0.94 MAPK14 (0.51) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3669720 0.93 MAPK14 (0.51) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3670892 0.92 MAPK14 (0.48) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3674660 0.92 MAPK14 (0.50) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3677712 0.92 MAPK14 (0.52) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3672038 0.91 MAPK14 (0.50) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3672961 0.91 MAPK14 (0.50) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3576254 0.90 MAPK14 (0.53) MAPK14LCKMAPK8MAPK9MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed